SCHEMBL15919864

SCHEMBL15919864

CCOc1ccc(NC(=S)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
NPY2R P49146 3/20 0.62
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
ALOX12 P18054 1/20 0.59
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15919860 0.87 ALDH1A1 (0.68) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15920002 0.86 NPC1 (0.65) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL15919855 0.84 NPY2R (0.59) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15919862 0.84 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL15919628 0.77 NPY2R (0.68) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15919866 0.77 NPY2R (1.00) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15920164 0.75 NPY2R (0.69) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15919884 0.74 NPY2R (1.00) NPY2RKMT2ALMNAMEN1ALOX12
SCHEMBL15919899 0.73 NPY2R (0.77) ALDH1A1NPY2RKMT2ALMNAMEN1
SCHEMBL15919871 0.73 NPY2R (0.62) ALDH1A1NPY2RKMT2ALMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed